UCSF

ZINC53523399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 32 Yes

Popular Name: 1-[7-[(1R)-2-(dimethylamino)-1-hydroxy-1-methyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(5-fl 1-[7-[(1R)-2-(dimethylamino)-1-h…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 8.6 -45.56 3 7 1 83 441.527 6 ↓
Hi High (pH 8-9.5) 2.52 6.71 -12.24 2 7 0 82 440.519 6 ↓
Lo Low (pH 4.5-6) 2.52 9.01 -85.18 4 7 2 84 442.535 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.